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20 积分 2024-06-06 加入
Algorithm for generating derivative structures
1个月前
已完结
Insights on the relevance of DFT+U formalism for strongly correlated Ta d electrons probing the nanoscale in oxides: Combined time-differential perturbed γ−γ angular correlation spectroscopy and ab initio study in Hf181(→181Ta)-implanted α−Al2O3 single crystal
3个月前
已完结
Anion sublattice design enables superionic conductivity in crystalline oxyhalides
3个月前
已完结
Special quasirandom structures
5个月前
已完结
Generalized dependence of alloy properties on multiple chemical orders
5个月前
已完结
Deep potential generation scheme and simulation protocol for the Li10GeP2S12-type superionic conductors
5个月前
已完结
An accurate machine-learning calculator for optimization of Li-ion battery cathodes
5个月前
已完结
Generalized cluster description of multicomponent systems
7个月前
已完结
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